Geometry & MOs

Info

ID:	156071
PubChem CID:	56369014
Reduced:	BrON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-8.49
Dipole, Da:	2.75
IP(EA), eV:	-8.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-benzyl-2-hydroxybenzoyl)piperazin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC3=C(C=C2)N(CCC3)C)Br

DOS

IR

Vibrations